(1R,5R,6R,7S)-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-5-(2-methyl-1-oxopropyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione (Q27166312)

BDBM50377913 (English)

9 October 2016

chemical formula

C₃₅H₅₂O₄

1 reference

BDBM50377913 (English)

9 October 2016

canonical SMILES

CC(C)C(=O)C12C(=O)C(C(=O)C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C

1 reference

BDBM50377913 (English)

9 October 2016

isomeric SMILES

CC(C)C(=O)[C@]12C(=O)C(C(=O)[C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C

1 reference

BDBM50377913 (English)

InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-28H,12,16-17,19-21H2,1-11H3/t27-,28?,33+,34+,35-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

BDBM50377913 (English)

GQRREYKSPJMLAW-KZFONMTISA-N

9 October 2016

InChIKey

2 references

BDBM50377913 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1R,5R,6R,7S)-5-Isobutyryl-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-6-(4-methyl-3-penten-1-yl)bicyclo[3.3.1]nonane-2,4,9-trione (English)

9 October 2016

1 reference

BDBM50377913 (English)

9 October 2016

ChEBI ID

94446

mapping relation type

2 references

(1R,5R,6R,7S)-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-5-(2-methyl-1-oxopropyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione (English)